⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3304975 | 0.81 | OPRM1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL26676463 | 0.79 | — | — | |
| SCHEMBL4275939 | 0.78 | — | — | |
| SCHEMBL11575704 | 0.77 | GABRR1 (0.31) | — | |
| SCHEMBL3299856 | 0.77 | OPRM1 (0.39) | — | |
| SCHEMBL20194070 | 0.77 | — | — | |
| SCHEMBL13912568 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL3303115 | 0.75 | OPRM1 (0.48) | — | |
| SCHEMBL5706631 | 0.75 | — | — | |
| SCHEMBL6743203 | 0.75 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1885718-A1 | FLUORESCENT CHEMICAL COMPOUNDS HAVING HIGH SELECTIVITY FOR DOUBLE STRANDED DNA, AND METHODS FOR THEIR USE | Molecular Probes, Inc. (US) | 2008-02-13 | — | — | EP | disclosed |
| WO-2006124816-A1 | FLUORESCENT CHEMICAL COMPOUNDS HAVING HIGH SELECTIVITY FOR DOUBLE STRANDED DNA, AND METHODS FOR THEIR USE | MOLECULAR PROBES, INC. (US) | 2006-11-23 | — | — | WO | disclosed |